pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

C20H19NO4 — CID 71944710

IUPACpyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1cccnc1
InChIInChI=1S/C20H19NO4/c22-20(24-12-14-4-3-9-21-11-14)13-23-15-7-8-19-17(10-15)16-5-1-2-6-18(16)25-19/h3-4,7-11H,1-2,5-6,12-13H2
InChIKeyMNMYASQMSWJFHY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.83
Rot. Bonds5

About pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (PubChem CID 71944710) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
PubChem CID71944710
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namepyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1cccnc1
InChIInChI=1S/C20H19NO4/c22-20(24-12-14-4-3-9-21-11-14)13-23-15-7-8-19-17(10-15)16-5-1-2-6-18(16)25-19/h3-4,7-11H,1-2,5-6,12-13H2
InChIKeyMNMYASQMSWJFHY-UHFFFAOYSA-N
XLogP3.83
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]pyridine-3-carbohydrazide
CID 35015838
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18206466
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 31155237
(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 43038915
[4-(2-methoxyethyl)phenyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8867276
(4-cyanophenyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8765893
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
1-(4-pyridin-4-ylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 9048368
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 16549718
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878
1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18209760

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The IUPAC name of pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (CID 71944710) is pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.
What is the SMILES notation for pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The canonical SMILES for pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The InChIKey is MNMYASQMSWJFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-20(24-12-14-4-3-9-21-11-14)13-23-15-7-8-19-17(10-15)16-5-1-2-6-18(16)25-19/h3-4,7-11H,1-2,5-6,12-13H2.
What are the key properties of pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate has a molecular weight of 337.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is sourced from PubChem (CID 71944710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).